SCHEMBL27948024

SCHEMBL27948024

NCc1ccccc1Pc1cccc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PNMT P11086 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
DPP4 P27487 2/20 0.32
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.30
MC5R P33032 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27947995 0.84 ALDH1A1 (0.42) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3692753 0.84 ALDH1A1 (0.44) HTR2AALDH1A1KDM4EGAAL3MBTL1
SCHEMBL134205 0.80 HTR2A (0.54) HTR2AALDH1A1KDM4EGAAL3MBTL1
SCHEMBL28248387 0.80 PNMT (0.48) HTR2APNMTLOXL2DPP4
Hydrochloric Acid SCHEMBL28248482 0.78 PNMT (0.46) PNMTLOXL2DPP4
SCHEMBL3680748 0.77 ALDH1A1 (0.39) HTR2AALDH1A1KDM4EGAAL3MBTL1
SCHEMBL21634588 0.72 HTR2A (0.52) HTR2AALDH1A1KDM4EGAAL3MBTL1
SCHEMBL27948119 0.71 CYP1A2 (0.40) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL27948068 0.70 DPP4 (0.45) HTR2AKDM4ESMN1; SMN2PNMTLOXL2
SCHEMBL4387785 0.69 CYP1A2 (0.47) HTR2AALDH1A1KDM4EGAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed